![4-[Trichloromethyl]-2-[[4-nitrophenyl]thio]pyrimidine](/api/spectrum/9Od4ZB5GIuy/structure.png?h=300&w=458 "4-[Trichloromethyl]-2-[[4-nitrophenyl]thio]pyrimidine")
| SpectraBase Compound ID | 1ohO1dPQoEH |
|---|---|
| InChI | InChI=1S/C11H6Cl3N3O2S/c12-11(13,14)9-5-6-15-10(16-9)20-8-3-1-7(2-4-8)17(18)19/h1-6H |
| InChIKey | WMQXRMOKHZHHFH-UHFFFAOYSA-N |
| Mol Weight | 350.61 g/mol |
| Molecular Formula | C11H6Cl3N3O2S |
| Exact Mass | 348.924631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Od4ZB5GIuy |
|---|---|
| Name | 4-[Trichloromethyl]-2-[[4-nitrophenyl]thio]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.924630717 u |
| Formula | C11H6Cl3N3O2S |
| InChI | InChI=1S/C11H6Cl3N3O2S/c12-11(13,14)9-5-6-15-10(16-9)20-8-3-1-7(2-4-8)17(18)19/h1-6H |
| InChIKey | WMQXRMOKHZHHFH-UHFFFAOYSA-N |
| Molecular Weight | 350.607 g/mol |
| SMILES | C1(=NC=CC(=N1)C(Cl)(Cl)Cl)SC1=CC=C(N(=O)=O)C=C1 |